1,1'-[(1R,2R)-cyclohexane-1,2-diyl]bis[3-[3,5-bis(trifluoromethyl)phenyl]thiourea] - CAS 743458-79-9
Catalog: |
BB035070 |
Product Name: |
1,1'-[(1R,2R)-cyclohexane-1,2-diyl]bis[3-[3,5-bis(trifluoromethyl)phenyl]thiourea] |
CAS: |
743458-79-9 |
Synonyms: |
1-[(1R,2R)-2-[[[3,5-bis(trifluoromethyl)anilino]-sulfanylidenemethyl]amino]cyclohexyl]-3-[3,5-bis(trifluoromethyl)phenyl]thiourea; 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(1R,2R)-2-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]cyclohexyl]thiourea |
IUPAC Name: | 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(1R,2R)-2-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]cyclohexyl]thiourea |
Description: | 1,1'-[(1R,2R)-cyclohexane-1,2-diyl]bis[3-[3,5-bis(trifluoromethyl)phenyl]thiourea] (CAS# 743458-79-9 ) is a useful research chemical. |
Molecular Weight: | 656.55 |
Molecular Formula: | C24H20F12N4S2 |
Canonical SMILES: | C1CCC(C(C1)NC(=S)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)NC(=S)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F |
InChI: | InChI=1S/C24H20F12N4S2/c25-21(26,27)11-5-12(22(28,29)30)8-15(7-11)37-19(41)39-17-3-1-2-4-18(17)40-20(42)38-16-9-13(23(31,32)33)6-14(10-16)24(34,35)36/h5-10,17-18H,1-4H2,(H2,37,39,41)(H2,38,40,42)/t17-,18-/m1/s1 |
InChI Key: | VALSAKIMMYEMHC-QZTJIDSGSA-N |
Melting Point: | 132-133 °C |
Storage: | Inert atmosphere. Keep cold. |
LogP: | 9.27380 |
Precautionary Statement: | P261 - P280 - P301+P312 - P302+P352 - P305+P351+P338 |
Publication Number | Title | Priority Date |
US-10620143-B2 | Sensor and method of detecting an analyte using 19F NMR | 20140715 |
US-2016018344-A1 | Sensor and method of detecting an analyte using 19f nmr | 20140715 |
Complexity: | 818 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 656.0937769 |
Formal Charge: | 0 |
Heavy Atom Count: | 42 |
Hydrogen Bond Acceptor Count: | 14 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 656.0937769 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 112 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 7.7 |
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